From owner-chemistry@ccl.net Wed Jul  9 09:29:01 2008
From: "Sebastien Villaume sebastien.villaume]~[biorg.uu.se" <owner-chemistry[a]server.ccl.net>
To: CCL
Subject: CCL: Sulfur basis set
Message-Id: <-37319-080708110114-21431-HeHgdGz0wQpta+b9wjWuIQ[a]server.ccl.net>
X-Original-From: Sebastien Villaume <sebastien.villaume[A]biorg.uu.se>
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Date: Tue, 08 Jul 2008 16:21:24 +0200
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Sent to CCL by: Sebastien Villaume [sebastien.villaume---biorg.uu.se]

Dear Thiago,

you should try this :

http://gnode2.pnl.gov/bse/portal

Best Regards,

/SV

Quoting "Thiago Correra tcorrera##iq.usp.br" <owner-chemistry^ccl.net>:

>
> Sent to CCL by: "Thiago  Correra" [tcorrera(-)iq.usp.br]
> Dear CCL subscribers,
>
> I'm wondering if there's not some review or any other information  =20
> about sulfur basis set.
> I want to model conformational transition states for C=3DS bond  =20
> containing heterocyclic compounds, and I don't know if the  =20
> 6-311+G(d,p) is a good choice.
> There are about 40 atoms in those compounds, and 5 of them are  =20
> heavy, like sulfur and clorine, so please, be gentle.
> Thanks in advance,
>
> Thiago Correra - tcorrera#iq.usp.br
> Instituto de Qumica, Universidade de So Paulo - Brasil.
>
>
>
> -=3D This is automatically added to each message by the mailing script =3D=
->
>
>